Geometry & MOs

Info

ID:	279372
PubChem CID:	103843507
Reduced:	ClN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	269.14495
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	3.78
IP(EA), eV:	-10.12(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-])CO

DOS

IR

Vibrations